Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.5969   -1.6516    0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3297   -0.4374   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0052    0.1543   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    1.4712   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    2.0628   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    1.3410   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    0.0567    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269   -0.5482    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544   -0.7317    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -2.0457    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945   -2.2855    0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    0.1723   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073    2.0068   -0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    3.0930   -1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    1.8337   -0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -1.5827    0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -0.5061   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3492   -1.8224    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469   -0.5804    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers